N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide

C18H13N3O3 — CID 110444896

IUPACN-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1)c1ccncc1
InChIInChI=1S/C18H13N3O3/c22-18(13-7-9-19-10-8-13)20-16-5-1-3-14(11-16)15-4-2-6-17(12-15)21(23)24/h1-12H,(H,20,22)
InChIKeySJNBPTNLLGZSPQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.91
Rot. Bonds4

About N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide

N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide (PubChem CID 110444896) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
PubChem CID110444896
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1)c1ccncc1
InChIInChI=1S/C18H13N3O3/c22-18(13-7-9-19-10-8-13)20-16-5-1-3-14(11-16)15-4-2-6-17(12-15)21(23)24/h1-12H,(H,20,22)
InChIKeySJNBPTNLLGZSPQ-UHFFFAOYSA-N
XLogP3.91
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
1-(3-nitrophenyl)-3-(pyridine-4-carbonylamino)thiourea
CID 86572691
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide (CID 110444896) is N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1)c1ccncc1.
What is the InChIKey of N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide?
The InChIKey is SJNBPTNLLGZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-18(13-7-9-19-10-8-13)20-16-5-1-3-14(11-16)15-4-2-6-17(12-15)21(23)24/h1-12H,(H,20,22).
What are the key properties of N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide?
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 110444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).